Crystallography Open Database

Information card for entry 4117830

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Structure parameters

Chemical name	(I)2Si(B(L))(N(SiMe3)(2,6-C6H3iPr2))
Formula	C41 H62 B I2 N3 Si2
Calculated formula	C41 H62 B I2 N3 Si2
SMILES	[Si](I)(I)(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A Stable Two-Coordinate Acyclic Silylene
Authors of publication	Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6500 - 6503
a	11.3523 ± 0.0001 Å
b	17.745 ± 0.0001 Å
c	22.1942 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4470.95 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0292
Weighted residual factors for all reflections included in the refinement	0.0281
Goodness-of-fit parameter for all reflections included in the refinement	1.0162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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